Compound Detail
CHEMBL418036
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL418036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNMKLZBYJNBEEK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.4
MW (Da)
5.75
ALogP
6
HBA
0
HBD
74.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.39 | 6.275 | 41.0 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 41.0 | nM | 7.39 | Concentration required to displace 50% of a radiolabeled farnesyltransferase inh... | 11378366 |
| Geranylgeranyl transferase type I | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by... | 11378366 |
| Protein farnesyltransferase | IC50 | = | 7000.0 | nM | 5.16 | In vitro inhibition against human Farnesyltransferase catalyzed by incorporation... | 11378366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378366 | 10.1016/s0960-894x(01)00240-2 | Protein farnesyltransferase | 2 |
| 11378366 | 10.1016/s0960-894x(01)00240-2 | Geranylgeranyl transferase type I | 2 |
Data from ChEMBL 36 via Core Engine